3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide

C11H16N2O3S — CID 113257057

IUPAC3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1ccncc1O
InChIInChI=1S/C11H16N2O3S/c1-11(16,7-17-2)6-13-10(15)8-3-4-12-5-9(8)14/h3-5,14,16H,6-7H2,1-2H3,(H,13,15)
InChIKeyJKACVVWQHLDKCX-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.63
Rot. Bonds5

About 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide

3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 113257057) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID113257057
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1ccncc1O
InChIInChI=1S/C11H16N2O3S/c1-11(16,7-17-2)6-13-10(15)8-3-4-12-5-9(8)14/h3-5,14,16H,6-7H2,1-2H3,(H,13,15)
InChIKeyJKACVVWQHLDKCX-UHFFFAOYSA-N
XLogP0.63
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113245885
N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide
CID 104864896
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
CID 114164077
2,3,4-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103738048
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3-dimethylbenzamide
CID 103682088
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940
2-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773569
4-bromo-3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113342863
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide (CID 113257057) is 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide is CSCC(C)(O)CNC(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is JKACVVWQHLDKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(16,7-17-2)6-13-10(15)8-3-4-12-5-9(8)14/h3-5,14,16H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 113257057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).